N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine

C13H20N2 — CID 105456793

IUPACN-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
SMILESCCNCC1Cc2cccc(C)c2CN1
InChIInChI=1S/C13H20N2/c1-3-14-8-12-7-11-6-4-5-10(2)13(11)9-15-12/h4-6,12,14-15H,3,7-9H2,1-2H3
InChIKeyRVWARBXEMHADIK-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.62
Rot. Bonds3

About N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine

N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine (PubChem CID 105456793) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
PubChem CID105456793
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
SMILESCCNCC1Cc2cccc(C)c2CN1
InChIInChI=1S/C13H20N2/c1-3-14-8-12-7-11-6-4-5-10(2)13(11)9-15-12/h4-6,12,14-15H,3,7-9H2,1-2H3
InChIKeyRVWARBXEMHADIK-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine (CID 105456793) is N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine is CCNCC1Cc2cccc(C)c2CN1.
What is the InChIKey of N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
The InChIKey is RVWARBXEMHADIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-14-8-12-7-11-6-4-5-10(2)13(11)9-15-12/h4-6,12,14-15H,3,7-9H2,1-2H3.
What are the key properties of N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine is sourced from PubChem (CID 105456793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).